1.99s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-04-10 12:26:23
Repository revision: fb796f6ccc7879c3ae3d07e87499aaa430469deb
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
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Test outputCTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 164775920 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 7.91076E+01 AVE RMSD 1.21
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.20634E+01 RMS 1.13
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.95273E+01 AVE RMSD 1.46
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.20662E+01 RMS 1.44
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.96687E+01 AVE RMSD 1.42
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.20670E+01 RMS 1.46
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 7.99481E+01 AVE RMSD 1.20
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.20661E+01 RMS 1.21
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 8.07317E+01 AVE RMSD 1.36
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 8.20692E+01 RMS 1.47